Hi everyone,
Has anyone tried to run AIMD simulations with the CSVR thermostat (MDALGO=5)?
I've tried different versions of VASP6 (6.2.0 and 6.4.2) and I keep getting the following error:
"invalid value of MDALGO:
----> I REFUSE TO CONTINUE WITH THIS SICK JOB ... BYE!!! <----"
Anyone successful using this thermostat with vasp6?
Romain.
CSVR Thermostat (MDALGO=5)
Moderators: Global Moderator, Moderator
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ferenc_karsai
- Global Moderator
- Posts: 460
- Joined: Mon Nov 04, 2019 12:44 pm
Re: CSVR Thermostat (MDALGO=5)
This version is not yet in the official VASP version. It's only in the developers version of VASP and is currently under testing.
I see that there is an entry for it in the wiki. It was a mistake to not mention that it is only available in the developers version. I've made now a remark on the wiki page. Sorry for the confusion.
It's not shure at the moment in which version the feature becomes available, but we will announce it when it's clear.
I see that there is an entry for it in the wiki. It was a mistake to not mention that it is only available in the developers version. I've made now a remark on the wiki page. Sorry for the confusion.
It's not shure at the moment in which version the feature becomes available, but we will announce it when it's clear.
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romain_reocreux2
- Newbie
- Posts: 2
- Joined: Fri Mar 01, 2024 2:47 pm
Re: CSVR Thermostat (MDALGO=5)
I see, thanks for your message.
Looking forward to being able to use this thermostat with VASP!
Looking forward to being able to use this thermostat with VASP!